(Glutathion-S-yl)dihydromorphinone

Base Information

• Chemical Name: (Glutathion-S-yl)dihydromorphinone
• CAS No.: 119995-15-2
• Molecular Formula: C27H34 N4 O9 S
• Molecular Weight: 590.65
• DSSTox Substance ID: DTXSID20152636
• Wikidata: Q83019336
• Mol file: 119995-15-2.mol

Synonyms:(glutathion-S-yl)dihydromorphinone;dihydromorphinone-glutathione adduct;SG-DHMO

Chemical Property of (Glutathion-S-yl)dihydromorphinone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 994.5°Cat760mmHg
• Flash Point: 555.2°C
• PSA: 240.87000
• Density: 1.55g/cm³
• LogP: 1.53850
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 590.20464985
• Heavy Atom Count: 41
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)C[C@H]4SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

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